3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid

C13H19N3O2 — CID 126630237

IUPAC3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid
SMILESCc1ncc2c(n1)CCN(CC(C)CC(=O)O)C2
InChIInChI=1S/C13H19N3O2/c1-9(5-13(17)18)7-16-4-3-12-11(8-16)6-14-10(2)15-12/h6,9H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeySQSVTNPBEBAESA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.25
Rot. Bonds4

About 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid

3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid (PubChem CID 126630237) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid
PubChem CID126630237
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid
SMILESCc1ncc2c(n1)CCN(CC(C)CC(=O)O)C2
InChIInChI=1S/C13H19N3O2/c1-9(5-13(17)18)7-16-4-3-12-11(8-16)6-14-10(2)15-12/h6,9H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeySQSVTNPBEBAESA-UHFFFAOYSA-N
XLogP1.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate
CID 126630231
3-methyl-4-[2-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618984
4-[2-[2-fluoro-4-(2-phenylethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 126618774
4-[2-[4-[1-(4-chloro-2-fluorophenyl)ethenyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 175236326
4-[2-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 126618816
3-methyl-4-[2-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618953
4-[2-[4-[(3-fluorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 126619093
3-methyl-4-[2-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618787
2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
CID 24917852
4-[2-[4-[(2,3-dimethylphenyl)methoxy]-2-fluorophenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid
CID 126618818
ethyl 3-methyl-4-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate
CID 126619164
4-[2-[4-[(4-ethylphenyl)methoxy]-3-methylphenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
CID 126618980

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid?
The IUPAC name of 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid (CID 126630237) is 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid?
The canonical SMILES for 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid is Cc1ncc2c(n1)CCN(CC(C)CC(=O)O)C2.
What is the InChIKey of 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid?
The InChIKey is SQSVTNPBEBAESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(5-13(17)18)7-16-4-3-12-11(8-16)6-14-10(2)15-12/h6,9H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid?
3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid is sourced from PubChem (CID 126630237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).